A0A077ZJY5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 84 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47Very low46.1Very low243 Ų243156 Ų156100%1.19782%0.821SS**  0930-68.3-176.7155.700108.5
2P40.7Very low46Very low120 Ų120153.3 Ų153.378%0.77981%0.807SS**  trans-105.9152.2178.333.8-20.5000109.7
3T48.1Very low46.1Very low96 Ų96147.4 Ų147.459%0.58979%0.794SS**  cis-168.9116-1.1-80.80000103.9K5T3-K5 VanDerWaalsContact C-N 3.27Å; T3-K5 HydrophobicContact CG2-CB 3.88Å; T3-K5 HydrophobicContact CG2-CD 3.6Å; T3-K5 HydrophobicContact CG2-CG 3.41Å; T3-K5 VanDerWaalsContact CG2-CG 3.41Å; T3-K5 PolarHBondContact O-N 3.27Å
4V53.7Low46.2Very low161 Ų161152.5 Ų152.598%0.97680%0.796SS**  trans-76.686.3169.4-176.50000106.9
5K47.7Very low46.9Very low177 Ų177153.1 Ų153.177%0.7779%0.794SS**  trans-98142.8171.9-101.2171-174.7-174.80108.4T3T3-K5 VanDerWaalsContact C-N 3.27Å; T3-K5 HydrophobicContact CG2-CB 3.88Å; T3-K5 HydrophobicContact CG2-CD 3.6Å; T3-K5 HydrophobicContact CG2-CG 3.41Å; T3-K5 VanDerWaalsContact CG2-CG 3.41Å; T3-K5 PolarHBondContact O-N 3.27Å
6S46.9Very low47.7Very low94 Ų94150.4 Ų150.466%0.65779%0.792SS**SBendtrans85.745.2146.5-170.60000119.1
7L45.7Very low48.5Very low167 Ų167149.8 Ų149.887%0.87479%0.789SS**SBendtrans-134.2-21.2152.8-72.6176.8000114.2T9L7-T9 VanDerWaalsContact C-N 3.3Å; L7-T9 PolarHBondContact O-N 3.43Å
8L44.3Very low49.5Very low162 Ų162146.8 Ų146.885%0.84878%0.779SS**THydrogen-bonded Turntrans-82.5-3.9174.7-67.2171.9000114Y10 E11L8-Y10 PolarHBondContact O-N 3.04Å; L8-E11 PolarHBondContact O-N 2.89Å
9T42.9Very low50.4Low124 Ų124146.7 Ų146.776%0.76178%0.777SS**THydrogen-bonded Turntrans-8728170.5-26.60000112.3L7L7-T9 VanDerWaalsContact C-N 3.3Å; L7-T9 PolarHBondContact O-N 3.43Å
10Y43.6Very low51Low212 Ų212141.1 Ų141.183%0.83175%0.75SS**  trans-95.159.4143.6-149.6-93.3000106.2L8 N12L8-Y10 PolarHBondContact O-N 3.04Å; Y10-N12 PolarHBondContact O-N 2.7Å
11E46.6Very low51.8Low160 Ų160144 Ų14475%0.74876%0.759SS**  trans-51.6122.9164.8-80.2-115.7151.400105.6L8 A13L8-E11 PolarHBondContact O-N 2.89Å; E11-A13 PolarHBondContact O-N 3.24Å
12N45.1Very low52.7Low123 Ų123139.4 Ų139.466%0.65874%0.735SS**  trans-61.772.7-177.5-161-17.7000108Y10 R14Y10-N12 PolarHBondContact O-N 2.7Å; N12-R14 PolarHBondContact O-N 3.46Å
13A47Very low53.8Low77 Ų77143.4 Ų143.464%0.63673%0.734SS**  trans-68.584171.300000104.9E11 Q15E11-A13 PolarHBondContact O-N 3.24Å; A13-Q15 HydrophobicContact CB-CG 4.45Å; A13-Q15 PolarHBondContact O-N 2.72Å
14R47.9Very low54.5Low219 Ų219141 Ų14183%0.82672%0.716SS**  trans-65.361.7160.6-65-174.5179.6172.4-0.5107.6N12 S16N12-R14 PolarHBondContact O-N 3.46Å; R14-S16 VanDerWaalsContact C-N 3.26Å; R14-S16 PolarHBondContact O-N 3.49Å
15Q56.7Low55.2Low162 Ų162136.2 Ų136.276%0.75769%0.689SS**  trans-65.4101.9158-75.3-177.1-17.800103.9A13 L17A13-Q15 HydrophobicContact CB-CG 4.45Å; A13-Q15 PolarHBondContact O-N 2.72Å; Q15-L17 VanDerWaalsContact C-N 3.34Å; Q15-L17 PolarHBondContact O-N 2.99Å
16S58.8Low56.2Low110 Ų110133.1 Ų133.177%0.76968%0.677SS**  trans-51.2106165.9169.60000106.4R14 P18R14-S16 VanDerWaalsContact C-N 3.26Å; R14-S16 PolarHBondContact O-N 3.49Å; S16-P18 VanDerWaalsContact O-N 3.17Å
17L62.8Low57.5Low140 Ų140130.6 Ų130.673%0.73366%0.658SS**PPolyproline II helixtrans-56.8124.1170-70.2171.6000106.1Q15 I19Q15-L17 VanDerWaalsContact C-N 3.34Å; Q15-L17 PolarHBondContact O-N 2.99Å; L17-I19 PolarHBondContact O-N 2.76Å
18P66.1Low59.1Low95 Ų95128 Ų12862%0.61764%0.641SS**PPolyproline II helixtrans-56.8133.7178.224.3-32.6000107.7S16 P20S16-P18 VanDerWaalsContact O-N 3.17Å; P18-P20 VanDerWaalsContact O-CD 3.26Å; P18-P20 WeakPolarHBondContact O-CD 3.26Å; P18-P20 VanDerWaalsContact O-N 3.1Å
19I66.4Low60.9Low145 Ų145123.9 Ų123.974%0.74462%0.619SS**PPolyproline II helixtrans-58.5121.7176.8-58.7176.7000106.6L17 Q21L17-I19 PolarHBondContact O-N 2.76Å; I19-Q21 PolarHBondContact O-N 2.87Å
20P62.7Low63Low35 Ų35121.8 Ų121.823%0.22760%0.603CS.*PPolyproline II helixtrans-50.6116.5175.6-30.437.9000110.1P18 E22 S25 H26 L50P18-P20 VanDerWaalsContact O-CD 3.26Å; P18-P20 WeakPolarHBondContact O-CD 3.26Å; P18-P20 VanDerWaalsContact O-N 3.1Å; P20-E22 VanDerWaalsContact CB-O 3.27Å; P20-E22 WeakPolarHBondContact CB-O 3.34Å; P20-E22 PolarHBondContact O-N 2.98Å; P20-S25 WeakPolarHBondContact CB-OG 3.27Å; P20-H26 HydrophobicContact CG-CB 4.31Å; P20-L50 HydrophobicContact CB-CD1 4.44Å
21Q66.3Low65Low203 Ų203115 Ų11595%0.94958%0.58SS**SBendtrans-67.4-26.5172.6-70.7-175-32.400111.1I19I19-Q21 PolarHBondContact O-N 2.87Å
22E67Low66.9Low145 Ų145110 Ų11068%0.67856%0.561SS**SBendtrans-108.1138.5176.1-64.2-176.7173.700110.3P20 F24 S25P20-E22 VanDerWaalsContact CB-O 3.27Å; P20-E22 WeakPolarHBondContact CB-O 3.34Å; P20-E22 PolarHBondContact O-N 2.98Å; E22-F24 PolarHBondContact O-N 2.8Å; E22-S25 PolarHBondContact O-N 3.11Å
23R64.6Low68.8Low205 Ų205106 Ų10677%0.77455%0.549SS*.THydrogen-bonded Turntrans-61.5128.5172-62.4-154.7-61.3-169.1-0.4108L50R23-L50 HydrophobicContact CB-CD1 4.4Å
24F62.7Low70.3Confident45 Ų45107 Ų10720%0.19755%0.549CS..THydrogen-bonded Turntrans79.68.1175.5-43.4-69.9000118.1E22 H26 R49 F81 I83E22-F24 PolarHBondContact O-N 2.8Å; F24-H26 PolarHBondContact O-N 2.77Å; F24-H26 VanDerWaalsContact O-N 3.11Å; F24-R49 HydrophobicContact CD1-CB 4.21Å; F24-R49 HydrophobicContact CD1-CG 4.43Å; F24-R49 HydrophobicContact CE1-CB 4.25Å; F24-F81 HydrophobicContact CE1-CB 4.36Å; F24-F81 WeakPolarHBondContact CE2-O 3.45Å; F24-F81 HydrophobicContact CZ-CB 4.35Å; F24-I83 HydrophobicContact CB-CB 4.16Å; F24-I83 HydrophobicContact CB-CD1 3.82Å; F24-I83 HydrophobicContact CB-CG1 3.56Å; F24-I83 HydrophobicContact CB-CG2 3.93Å; F24-I83 HydrophobicContact CD1-CD1 3.99Å; F24-I83 HydrophobicContact CD1-CG1 4.16Å; F24-I83 HydrophobicContact CD2-CG1 4.5Å; F24-I83 HydrophobicContact CG-CD1 4.12Å; F24-I83 HydrophobicContact CG-CG1 3.85Å; F24-I83 VanDerWaalsContact O-CG2 3.29Å; F24-I83 WeakPolarHBondContact O-CG2 3.46Å
25S66.5Low72.1Confident60 Ų60100 Ų10042%0.4253%0.527SS..SBendtrans-63.9-20.6175.569.90000113.6P20 E22P20-S25 WeakPolarHBondContact CB-OG 3.27Å; E22-S25 PolarHBondContact O-N 3.11Å
26H69.7Low73.7Confident112 Ų11297.9 Ų97.952%0.51953%0.528SS..  trans-132.9133.4174.3-62.277.4000109.9P20 F24P20-H26 HydrophobicContact CG-CB 4.31Å; F24-H26 PolarHBondContact O-N 2.77Å; F24-H26 VanDerWaalsContact O-N 3.11Å
27V73.4Confident74.8Confident42 Ų42103 Ų10326%0.25553%0.53SS..  trans-118.5123.8169.9-176.70000107.1I29 M47 R49 I83V27-I29 HydrophobicContact CG1-CG1 3.95Å; V27-M47 HydrophobicContact CG1-CB 4.36Å; V27-R49 HydrophobicContact CB-CG 4.35Å; V27-R49 HydrophobicContact CG1-CG 3.76Å; V27-R49 HydrophobicContact CG2-CG 3.93Å; V27-I83 HydrophobicContact CG2-CD1 3.61Å
28H79.5Confident75.8Confident113 Ų113100.1 Ų100.152%0.52352%0.522SS..EExtended strand (participates in β ladder)trans-85119173.3-177.1-126.7000108.3M47 Q48H28-M47 CarbonylContact O-C 3.57Å; H28-M47 WeakPolarHBondContact O-CA 3.41Å; H28-Q48 HydrophobicContact CB-CB 4.3Å; H28-Q48 PolarHBondContact N-O 2.88Å; H28-Q48 PolarHBondContact O-N 3.4Å
29I82.8Confident76.7Confident74 Ų74107 Ų10738%0.37954%0.536SS..EExtended strand (participates in β ladder)trans-115.7122.9179.6-55.1175.7000107.3V27 L45 T46 M47 V74V27-I29 HydrophobicContact CG1-CG1 3.95Å; I29-L45 HydrophobicContact CG2-CD1 3.46Å; I29-L45 VanDerWaalsContact CG2-CD1 3.46Å; I29-L45 HydrophobicContact CG2-CG 4.28Å; I29-T46 CarbonylContact C-O 3.59Å; I29-T46 WeakPolarHBondContact CA-O 3.35Å; I29-M47 HydrophobicContact CD1-SD 4.22Å; I29-M47 HydrophobicContact CG1-CG 4.01Å; I29-M47 HydrophobicContact CG1-SD 4.23Å; I29-M47 HydrophobicContact CG2-CG 4.16Å; I29-V74 HydrophobicContact CD1-CB 4.46Å; I29-V74 HydrophobicContact CD1-CG1 3.76Å; I29-V74 HydrophobicContact CD1-CG2 3.77Å
30D86.3Confident77.5Confident80 Ų80102.9 Ų102.943%0.42853%0.529SS..EExtended strand (participates in β ladder)trans-132.1151.6179.3-174.225.4000110.8T46D30-T46 WeakPolarHBondContact CB-OG1 3.29Å; D30-T46 PolarHBondContact N-O 2.74Å; D30-T46 PolarHBondContact O-N 2.89Å; D30-T46 PolarHBondContact O-OG1 3.14Å; D30-T46 VanDerWaalsContact O-OG1 3.14Å
31I85.9Confident78.5Confident69 Ų69106.6 Ų106.635%0.35454%0.539SS..EExtended strand (participates in β ladder)trans-115.8116179.4-65.8178.9000108.1Y43 L44 L45 L61 L70I31-Y43 HydrophobicContact CG2-CD1 3.97Å; I31-L44 CarbonylContact C-O 3.5Å; I31-L44 WeakPolarHBondContact CA-O 3.27Å; I31-L45 HydrophobicContact CG1-CD1 3.93Å; I31-L61 HydrophobicContact CD1-CD1 4.07Å; I31-L61 HydrophobicContact CG2-CD1 3.66Å; I31-L70 HydrophobicContact CD1-CD1 4.41Å
32V86.1Confident79.5Confident57 Ų5797.6 Ų97.635%0.34550%0.498SS..EExtended strand (participates in β ladder)trans-95.2118.6176.2-176.70000109.3L35 Y43 L44 T46V32-L35 HydrophobicContact CG1-CD1 4.29Å; V32-L35 HydrophobicContact CG1-CD2 4.29Å; V32-L35 HydrophobicContact CG1-CG 4.47Å; V32-Y43 CarbonylContact O-C 3.55Å; V32-Y43 VanDerWaalsContact O-CA 3.3Å; V32-Y43 WeakPolarHBondContact O-CA 3.35Å; V32-L44 HydrophobicContact CB-CB 4.24Å; V32-L44 PolarHBondContact N-O 3.19Å; V32-L44 PolarHBondContact O-N 3.38Å; V32-T46 HydrophobicContact CG2-CG2 3.95Å
33G86Confident80.4Confident39 Ų3992.8 Ų92.840%0.40247%0.474SS..  trans162.1179.5171.200000114.1
34P78.7Confident81.3Confident98 Ų9885.7 Ų85.764%0.63645%0.452SS*.PPolyproline II helixcis-79.5127.1530-33.3000113.1S42 Y43P34-S42 CarbonylContact C-O 3.56Å; P34-S42 WeakPolarHBondContact CA-O 3.43Å; P34-Y43 HydrophobicContact CB-CE1 4.05Å
35L86.2Confident82.4Confident71 Ų7183.7 Ų83.737%0.37244%0.443SS..PPolyproline II helixtrans-88.7158.4173.9-63.4172.6000110.8V32 R37 S42 L44V32-L35 HydrophobicContact CG1-CD1 4.29Å; V32-L35 HydrophobicContact CG1-CD2 4.29Å; V32-L35 HydrophobicContact CG1-CG 4.47Å; L35-R37 PolarHBondContact O-N 3.3Å; L35-S42 PolarHBondContact N-O 3.06Å; L35-L44 HydrophobicContact CD1-CD1 3.57Å; L35-L44 HydrophobicContact CD1-CG 3.81Å
36P88.3Confident83.3Confident118 Ų11881.8 Ų81.877%0.76643%0.428SS*.PPolyproline II helixtrans-50.4129.2169.5-25.434.2000110.4S38P36-S38 PolarHBondContact O-N 2.97Å; P36-S38 VanDerWaalsContact O-N 3.13Å
37R82.7Confident84Confident217 Ų21776.5 Ų76.582%0.81940%0.404SS*.PPolyproline II helixtrans-59.3121.9-175.1-70.4-174.7-165.8164.54.4110.1L35 Y41L35-R37 PolarHBondContact O-N 3.3Å; R37-Y41 WeakPolarHBondContact CA-O 3.42Å
38S84.4Confident84.2Confident80 Ų8079.5 Ų79.556%0.55942%0.415SS*.BIsolated β-bridgetrans-122117.6170.7-174.90000108.5P36 G40 Y41P36-S38 PolarHBondContact O-N 2.97Å; P36-S38 VanDerWaalsContact O-N 3.13Å; S38-G40 PolarHBondContact O-N 3.24Å; S38-G40 VanDerWaalsContact O-N 3.08Å; S38-Y41 PolarHBondContact N-O 2.92Å; S38-Y41 VanDerWaalsContact N-O 3.08Å; S38-Y41 PolarHBondContact O-N 2.9Å
39R85.2Confident83.8Confident240 Ų24074.3 Ų74.391%0.90639%0.391SS*.THydrogen-bonded Turntrans52.829.7-178.7-55.7-178178-172.4-1115Y41R39-Y41 HydrophobicContact CB-CD2 4.32Å
40G82.4Confident83.3Confident58 Ų5875.3 Ų75.360%0.59840%0.397SS*.THydrogen-bonded Turntrans88.10.7-179.300000115.5S38S38-G40 PolarHBondContact O-N 3.24Å; S38-G40 VanDerWaalsContact O-N 3.08Å
41Y84.6Confident82.4Confident113 Ų11383.6 Ų83.644%0.44342%0.422SS..BIsolated β-bridgetrans-99.2137.3174.3-57.8-82.4000110.5R37 S38 R39 P57 L58R37-Y41 WeakPolarHBondContact CA-O 3.42Å; S38-Y41 PolarHBondContact N-O 2.92Å; S38-Y41 VanDerWaalsContact N-O 3.08Å; S38-Y41 PolarHBondContact O-N 2.9Å; R39-Y41 HydrophobicContact CB-CD2 4.32Å; Y41-P57 HydrophobicContact CD1-CB 3.7Å; Y41-P57 HydrophobicContact CD1-CG 4.35Å; Y41-P57 HydrophobicContact CD2-CB 4.32Å; Y41-P57 HydrophobicContact CE1-CB 4.23Å; Y41-P57 HydrophobicContact CE1-CG 4.38Å; Y41-P57 HydrophobicContact CG-CB 3.75Å; Y41-L58 WeakPolarHBondContact CA-O 3.22Å
42S86Confident81.8Confident13 Ų1382.2 Ų82.29%0.09142%0.419CS..  trans-131.3-6.2-179.8620000113.4P34 L35 L58P34-S42 CarbonylContact C-O 3.56Å; P34-S42 WeakPolarHBondContact CA-O 3.43Å; L35-S42 PolarHBondContact N-O 3.06Å; S42-L58 PolarHBondContact N-O 2.93Å
43Y86Confident81.4Confident45 Ų4582.7 Ų82.718%0.17642%0.421CS..EExtended strand (participates in β ladder)trans-129.9151.8177.9-64-87.6000109.2I31 V32 P34 L58 G59 L61I31-Y43 HydrophobicContact CG2-CD1 3.97Å; V32-Y43 CarbonylContact O-C 3.55Å; V32-Y43 VanDerWaalsContact O-CA 3.3Å; V32-Y43 WeakPolarHBondContact O-CA 3.35Å; P34-Y43 HydrophobicContact CB-CE1 4.05Å; Y43-L58 PolarHBondContact N-O 2.65Å; Y43-L58 VanDerWaalsContact N-O 3.07Å; Y43-L58 PolarHBondContact O-N 3.49Å; Y43-G59 WeakPolarHBondContact CD2-O 3.34Å; Y43-L61 HydrophobicContact CD1-CD1 3.72Å; Y43-L61 HydrophobicContact CD1-CG 4.43Å; Y43-L61 HydrophobicContact CD2-CD1 4.07Å; Y43-L61 HydrophobicContact CD2-CG 3.89Å; Y43-L61 HydrophobicContact CE1-CD1 4.05Å; Y43-L61 HydrophobicContact CE2-CD1 4.37Å; Y43-L61 HydrophobicContact CE2-CG 4.26Å; Y43-L61 HydrophobicContact CG-CD1 3.74Å; Y43-L61 HydrophobicContact CG-CG 3.98Å
44L85Confident81.2Confident56 Ų5682.5 Ų82.529%0.29341%0.411SS..EExtended strand (participates in β ladder)trans-119.7121.8170.4-66.2170.5000108.1I31 V32 L35 P57I31-L44 CarbonylContact C-O 3.5Å; I31-L44 WeakPolarHBondContact CA-O 3.27Å; V32-L44 HydrophobicContact CB-CB 4.24Å; V32-L44 PolarHBondContact N-O 3.19Å; V32-L44 PolarHBondContact O-N 3.38Å; L35-L44 HydrophobicContact CD1-CD1 3.57Å; L35-L44 HydrophobicContact CD1-CG 3.81Å; L44-P57 HydrophobicContact CD2-CB 4.17Å
45L85.3Confident81.5Confident2 Ų284.1 Ų84.11%0.0141%0.408CS..EExtended strand (participates in β ladder)trans-73.5129.2160.5-167.962.7000108I29 I31 M47 F55 F56 L58 L70 K73 V74I29-L45 HydrophobicContact CG2-CD1 3.46Å; I29-L45 VanDerWaalsContact CG2-CD1 3.46Å; I29-L45 HydrophobicContact CG2-CG 4.28Å; I31-L45 HydrophobicContact CG1-CD1 3.93Å; L45-M47 HydrophobicContact CD2-CE 4.35Å; L45-M47 HydrophobicContact CD2-CG 4.15Å; L45-M47 HydrophobicContact CD2-SD 4.27Å; L45-M47 HydrophobicContact CG-CG 4.17Å; L45-F55 CarbonylContact O-C 3.54Å; L45-F55 WeakPolarHBondContact O-CA 3.39Å; L45-F56 HydrophobicContact CB-CB 3.99Å; L45-F56 HydrophobicContact CB-CD2 4.3Å; L45-F56 HydrophobicContact CD2-CD2 4.02Å; L45-F56 HydrophobicContact CG-CD2 4.45Å; L45-F56 PolarHBondContact N-O 2.88Å; L45-F56 PolarHBondContact O-N 2.84Å; L45-L58 HydrophobicContact CB-CD1 3.96Å; L45-L58 HydrophobicContact CB-CG 4.25Å; L45-L70 HydrophobicContact CB-CD2 4.26Å; L45-L70 HydrophobicContact CD1-CD2 3.54Å; L45-L70 HydrophobicContact CD2-CD2 3.67Å; L45-L70 HydrophobicContact CG-CD2 4.01Å; L45-K73 HydrophobicContact CD2-CB 4.44Å; L45-V74 HydrophobicContact CD2-CG2 4.43Å
46T85.7Confident81.5Confident20 Ų2082.8 Ų82.812%0.12340%0.4CS..EExtended strand (participates in β ladder)trans-114.9131168.965.10000108I29 D30 V32 D54 F55I29-T46 CarbonylContact C-O 3.59Å; I29-T46 WeakPolarHBondContact CA-O 3.35Å; D30-T46 WeakPolarHBondContact CB-OG1 3.29Å; D30-T46 PolarHBondContact N-O 2.74Å; D30-T46 PolarHBondContact O-N 2.89Å; D30-T46 PolarHBondContact O-OG1 3.14Å; D30-T46 VanDerWaalsContact O-OG1 3.14Å; V32-T46 HydrophobicContact CG2-CG2 3.95Å; T46-D54 WeakPolarHBondContact CA-O 3.39Å; T46-F55 HydrophobicContact CG2-CD1 3.64Å; T46-F55 HydrophobicContact CG2-CE1 3.69Å
47M83.2Confident81.2Confident2 Ų280.3 Ų80.31%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-123.2109.5173.7-65.3-161.5-76.300108.1V27 H28 I29 L45 V53 D54 F56 V74V27-M47 HydrophobicContact CG1-CB 4.36Å; H28-M47 CarbonylContact O-C 3.57Å; H28-M47 WeakPolarHBondContact O-CA 3.41Å; I29-M47 HydrophobicContact CD1-SD 4.22Å; I29-M47 HydrophobicContact CG1-CG 4.01Å; I29-M47 HydrophobicContact CG1-SD 4.23Å; I29-M47 HydrophobicContact CG2-CG 4.16Å; L45-M47 HydrophobicContact CD2-CE 4.35Å; L45-M47 HydrophobicContact CD2-CG 4.15Å; L45-M47 HydrophobicContact CD2-SD 4.27Å; L45-M47 HydrophobicContact CG-CG 4.17Å; M47-V53 WeakPolarHBondContact O-CA 3.43Å; M47-D54 HydrophobicContact CB-CB 4.42Å; M47-D54 PolarHBondContact N-O 2.75Å; M47-D54 PolarHBondContact O-N 3.12Å; M47-F56 HydrophobicContact CE-CD2 3.87Å; M47-F56 HydrophobicContact CE-CE2 3.15Å; M47-F56 HydrophobicContact CE-CZ 3.8Å; M47-V74 HydrophobicContact SD-CB 4.28Å; M47-V74 HydrophobicContact SD-CG2 3.76Å
48Q78Confident81.2Confident104 Ų10470 Ų7049%0.48635%0.345SS..EExtended strand (participates in β ladder)trans-97.9120176179.2173.6-000109.9H28 V53H28-Q48 HydrophobicContact CB-CB 4.3Å; H28-Q48 PolarHBondContact N-O 2.88Å; H28-Q48 PolarHBondContact O-N 3.4Å; Q48-V53 HydrophobicContact CB-CG2 4.24Å; Q48-V53 HydrophobicContact CG-CG2 4.04Å
49R71.2Confident80.9Confident4 Ų466.6 Ų66.62%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-110.9154.5166.5-63.7-179.6-70.9117.63.8106.9F24 V27 W51 C52 D54 F81F24-R49 HydrophobicContact CD1-CB 4.21Å; F24-R49 HydrophobicContact CD1-CG 4.43Å; F24-R49 HydrophobicContact CE1-CB 4.25Å; V27-R49 HydrophobicContact CB-CG 4.35Å; V27-R49 HydrophobicContact CG1-CG 3.76Å; V27-R49 HydrophobicContact CG2-CG 3.93Å; R49-W51 PolarHBondContact O-N 2.87Å; R49-C52 PolarHBondContact N-O 3.48Å; R49-C52 PolarHBondContact NH2-SG 3.22Å; R49-C52 PolarHBondContact O-N 2.92Å; R49-C52 VanDerWaalsContact O-O 3.09Å; R49-D54 IonicContact CZ-OD2 3.57Å; R49-D54 IonicContact NE-OD2 3.55Å; R49-D54 IonicContact NH2-OD2 2.74Å; R49-D54 PolarHBondContact NH2-OD2 3.48Å; R49-F81 VanDerWaalsContact CZ-CG 3.46Å
50L71.3Confident80.3Confident96 Ų9661.1 Ų61.150%0.50331%0.305SS..THydrogen-bonded Turntrans-36.3-32.6-170.8-75.3141.7000116.2P20 R23P20-L50 HydrophobicContact CB-CD1 4.44Å; R23-L50 HydrophobicContact CB-CD1 4.4Å
51W68.3Low79.6Confident253 Ų25359.8 Ų59.896%0.95828%0.284SS*.THydrogen-bonded Turntrans-129.2-3.5176.9-166.2-99.4000115.3R49R49-W51 PolarHBondContact O-N 2.87Å
52C72.4Confident78.8Confident41 Ų4160.2 Ų60.228%0.27729%0.294SS..EExtended strand (participates in β ladder)trans-132.8125.7-171.4-1720000110.1R49R49-C52 PolarHBondContact N-O 3.48Å; R49-C52 PolarHBondContact NH2-SG 3.22Å; R49-C52 PolarHBondContact O-N 2.92Å; R49-C52 VanDerWaalsContact O-O 3.09Å
53V78.8Confident78.2Confident66 Ų6662.2 Ų62.240%0.431%0.308SS..EExtended strand (participates in β ladder)trans-110116.2172-173.80000107.9M47 Q48 F55M47-V53 WeakPolarHBondContact O-CA 3.43Å; Q48-V53 HydrophobicContact CB-CG2 4.24Å; Q48-V53 HydrophobicContact CG-CG2 4.04Å; V53-F55 HydrophobicContact CB-CE2 4.07Å; V53-F55 HydrophobicContact CB-CZ 4.31Å; V53-F55 HydrophobicContact CG1-CD2 4.29Å; V53-F55 HydrophobicContact CG1-CE1 4.1Å; V53-F55 HydrophobicContact CG1-CE2 3.56Å; V53-F55 HydrophobicContact CG1-CZ 3.44Å; V53-F55 VanDerWaalsContact CG1-CZ 3.44Å
54D82.6Confident77.9Confident36 Ų3663.8 Ų63.819%0.19333%0.33CS..EExtended strand (participates in β ladder)trans-99.7137.2176.1-61.7-60.2000109.9T46 M47 R49 F56T46-D54 WeakPolarHBondContact CA-O 3.39Å; M47-D54 HydrophobicContact CB-CB 4.42Å; M47-D54 PolarHBondContact N-O 2.75Å; M47-D54 PolarHBondContact O-N 3.12Å; R49-D54 IonicContact CZ-OD2 3.57Å; R49-D54 IonicContact NE-OD2 3.55Å; R49-D54 IonicContact NH2-OD2 2.74Å; R49-D54 PolarHBondContact NH2-OD2 3.48Å; D54-F56 HydrophobicContact CB-CD2 4.44Å; D54-F56 HydrophobicContact CB-CE2 3.43Å; D54-F56 VanDerWaalsContact CB-CE2 3.43Å; D54-F56 HydrophobicContact CB-CZ 3.79Å
55F84.7Confident77.5Confident131 Ų13168.5 Ų68.558%0.57535%0.345SS*.EExtended strand (participates in β ladder)trans-118.1125.5179.5-61.7-91.2000110.2L45 T46 V53L45-F55 CarbonylContact O-C 3.54Å; L45-F55 WeakPolarHBondContact O-CA 3.39Å; T46-F55 HydrophobicContact CG2-CD1 3.64Å; T46-F55 HydrophobicContact CG2-CE1 3.69Å; V53-F55 HydrophobicContact CB-CE2 4.07Å; V53-F55 HydrophobicContact CB-CZ 4.31Å; V53-F55 HydrophobicContact CG1-CD2 4.29Å; V53-F55 HydrophobicContact CG1-CE1 4.1Å; V53-F55 HydrophobicContact CG1-CE2 3.56Å; V53-F55 HydrophobicContact CG1-CZ 3.44Å; V53-F55 VanDerWaalsContact CG1-CZ 3.44Å
56F84.8Confident76.9Confident43 Ų4369.5 Ų69.519%0.18935%0.35CS..EExtended strand (participates in β ladder)trans-123.1118.3176.4-52.7-90.2000110.5L45 M47 D54 L58 K73L45-F56 HydrophobicContact CB-CB 3.99Å; L45-F56 HydrophobicContact CB-CD2 4.3Å; L45-F56 HydrophobicContact CD2-CD2 4.02Å; L45-F56 HydrophobicContact CG-CD2 4.45Å; L45-F56 PolarHBondContact N-O 2.88Å; L45-F56 PolarHBondContact O-N 2.84Å; M47-F56 HydrophobicContact CE-CD2 3.87Å; M47-F56 HydrophobicContact CE-CE2 3.15Å; M47-F56 HydrophobicContact CE-CZ 3.8Å; D54-F56 HydrophobicContact CB-CD2 4.44Å; D54-F56 HydrophobicContact CB-CE2 3.43Å; D54-F56 VanDerWaalsContact CB-CE2 3.43Å; D54-F56 HydrophobicContact CB-CZ 3.79Å; F56-L58 PolarHBondContact O-N 3.35Å; F56-K73 HydrophobicContact CD1-CD 3.71Å; F56-K73 HydrophobicContact CD1-CG 4.17Å; F56-K73 HydrophobicContact CE1-CD 3.9Å; F56-K73 HydrophobicContact CG-CD 4.42Å; F56-K73 HydrophobicContact CG-CG 4.4Å
57P82.9Confident76.5Confident66 Ų6673.3 Ų73.343%0.42937%0.366SS..EExtended strand (participates in β ladder)trans-69.6131174.530.8-34.4000110.3Y41 L44Y41-P57 HydrophobicContact CD1-CB 3.7Å; Y41-P57 HydrophobicContact CD1-CG 4.35Å; Y41-P57 HydrophobicContact CD2-CB 4.32Å; Y41-P57 HydrophobicContact CE1-CB 4.23Å; Y41-P57 HydrophobicContact CE1-CG 4.38Å; Y41-P57 HydrophobicContact CG-CB 3.75Å; L44-P57 HydrophobicContact CD2-CB 4.17Å
58L81.7Confident76.4Confident1 Ų178.3 Ų78.31%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-117.9141.3180-60.4178.6000110.3Y41 S42 Y43 L45 F56 L61 L69 L70Y41-L58 WeakPolarHBondContact CA-O 3.22Å; S42-L58 PolarHBondContact N-O 2.93Å; Y43-L58 PolarHBondContact N-O 2.65Å; Y43-L58 VanDerWaalsContact N-O 3.07Å; Y43-L58 PolarHBondContact O-N 3.49Å; L45-L58 HydrophobicContact CB-CD1 3.96Å; L45-L58 HydrophobicContact CB-CG 4.25Å; F56-L58 PolarHBondContact O-N 3.35Å; L58-L61 HydrophobicContact CB-CD2 4.24Å; L58-L61 HydrophobicContact CD1-CD2 3.57Å; L58-L69 HydrophobicContact CD2-CD2 4.43Å; L58-L70 HydrophobicContact CD1-CD1 4.32Å; L58-L70 HydrophobicContact CD1-CD2 3.29Å; L58-L70 HydrophobicContact CD1-CG 3.93Å; L58-L70 HydrophobicContact CD2-CD2 4Å; L58-L70 HydrophobicContact CD2-CG 4.32Å; L58-L70 HydrophobicContact CG-CD2 4.25Å
59G78.5Confident76.6Confident8 Ų875.5 Ų75.58%0.08238%0.378CS..  trans-76.1-160.9168.500000110.4Y43 L61 Q66Y43-G59 WeakPolarHBondContact CD2-O 3.34Å; G59-L61 PolarHBondContact O-N 3.46Å; G59-L61 VanDerWaalsContact O-N 3.13Å; G59-Q66 VanDerWaalsContact N-OE1 3.12Å
60F72.6Confident77.1Confident125 Ų12576.6 Ų76.655%0.54838%0.384SS..  trans-62.1112.7178.5-166.4-113.6000112.2D62 S63 Q66F60-D62 HydrophobicContact CD1-CB 3.78Å; F60-D62 HydrophobicContact CE1-CB 3.44Å; F60-D62 VanDerWaalsContact CE1-CB 3.44Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å; F60-D62 HydrophobicContact CZ-CB 4.17Å; F60-D62 WeakPolarHBondContact CZ-OD2 3.45Å; F60-D62 PolarHBondContact O-N 2.81Å; F60-D62 VanDerWaalsContact O-N 3.14Å; F60-S63 PolarHBondContact O-N 2.85Å; F60-Q66 WeakPolarHBondContact O-CG 3.3Å
61L68.8Low77.6Confident31 Ų3180 Ų8016%0.16239%0.39CS..THydrogen-bonded Turntrans-64.5-15.7-170.8-71.4174.3000115.4I31 Y43 L58 G59 S63 Q66 L70I31-L61 HydrophobicContact CD1-CD1 4.07Å; I31-L61 HydrophobicContact CG2-CD1 3.66Å; Y43-L61 HydrophobicContact CD1-CD1 3.72Å; Y43-L61 HydrophobicContact CD1-CG 4.43Å; Y43-L61 HydrophobicContact CD2-CD1 4.07Å; Y43-L61 HydrophobicContact CD2-CG 3.89Å; Y43-L61 HydrophobicContact CE1-CD1 4.05Å; Y43-L61 HydrophobicContact CE2-CD1 4.37Å; Y43-L61 HydrophobicContact CE2-CG 4.26Å; Y43-L61 HydrophobicContact CG-CD1 3.74Å; Y43-L61 HydrophobicContact CG-CG 3.98Å; L58-L61 HydrophobicContact CB-CD2 4.24Å; L58-L61 HydrophobicContact CD1-CD2 3.57Å; G59-L61 PolarHBondContact O-N 3.46Å; G59-L61 VanDerWaalsContact O-N 3.13Å; L61-S63 PolarHBondContact O-N 3.3Å; L61-Q66 HydrophobicContact CD2-CB 4.43Å; L61-L70 HydrophobicContact CD2-CD1 3.79Å
62D67.9Low78.4Confident121 Ų12171.4 Ų71.465%0.64737%0.366SS*.THydrogen-bonded Turntrans-73.2-10.7-176.2-61.5-18.6000113.1F60F60-D62 HydrophobicContact CD1-CB 3.78Å; F60-D62 HydrophobicContact CE1-CB 3.44Å; F60-D62 VanDerWaalsContact CE1-CB 3.44Å; F60-D62 WeakPolarHBondContact CE1-OD2 3.42Å; F60-D62 HydrophobicContact CZ-CB 4.17Å; F60-D62 WeakPolarHBondContact CZ-OD2 3.45Å; F60-D62 PolarHBondContact O-N 2.81Å; F60-D62 VanDerWaalsContact O-N 3.14Å
63S72.2Confident78.9Confident56 Ų5673.4 Ų73.439%0.39237%0.37SS..SBendtrans-80.6132.3174.9-174.20000111.2F60 L61 Y65 Q66 Q67F60-S63 PolarHBondContact O-N 2.85Å; L61-S63 PolarHBondContact O-N 3.3Å; S63-Y65 PolarHBondContact O-N 3.13Å; S63-Y65 WeakPolarHBondContact OG-CB 3.3Å; S63-Y65 PolarHBondContact OG-N 2.83Å; S63-Q66 PolarHBondContact O-N 2.8Å; S63-Q67 PolarHBondContact O-N 2.99Å
64A80.4Confident79Confident77 Ų7771.7 Ų71.764%0.63636%0.359SS*.Hα-helixtrans-51-29.8169.300000112.5Q67 Q68A64-Q67 PolarHBondContact O-N 3.43Å; A64-Q68 WeakPolarHBondContact O-CB 3.48Å; A64-Q68 PolarHBondContact O-N 2.77Å
65Y76.4Confident79Confident156 Ų15672.4 Ų72.461%0.61237%0.37SS*.Hα-helixtrans-61.9-42.5173.5178.2-96.6000112.6S63 Q68 L69S63-Y65 PolarHBondContact O-N 3.13Å; S63-Y65 WeakPolarHBondContact OG-CB 3.3Å; S63-Y65 PolarHBondContact OG-N 2.83Å; Y65-Q68 PolarHBondContact O-N 3.46Å; Y65-L69 HydrophobicContact CE1-CD2 4.46Å; Y65-L69 VanDerWaalsContact O-CB 3.3Å; Y65-L69 WeakPolarHBondContact O-CB 3.28Å; Y65-L69 PolarHBondContact O-N 2.92Å
66Q72.3Confident78.8Confident22 Ų2269.2 Ų69.210%0.10336%0.364CS..Hα-helixtrans-70.8-35.9178.1-68.6-61.7-50.700111.4G59 F60 L61 S63 L69 L70G59-Q66 VanDerWaalsContact N-OE1 3.12Å; F60-Q66 WeakPolarHBondContact O-CG 3.3Å; L61-Q66 HydrophobicContact CD2-CB 4.43Å; S63-Q66 PolarHBondContact O-N 2.8Å; Q66-L69 PolarHBondContact O-N 3.08Å; Q66-L70 VanDerWaalsContact O-CB 3.3Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.39Å; Q66-L70 PolarHBondContact O-N 2.89Å
67Q76.9Confident78.3Confident101 Ų10167.5 Ų67.547%0.47236%0.357SS..Hα-helixtrans-63.9-40.9172.6-64.3-172.617.200112.1S63 A64 L70 R71S63-Q67 PolarHBondContact O-N 2.99Å; A64-Q67 PolarHBondContact O-N 3.43Å; Q67-L70 WeakPolarHBondContact O-CB 3.41Å; Q67-R71 VanDerWaalsContact O-CG 3.28Å; Q67-R71 WeakPolarHBondContact O-CG 3.44Å; Q67-R71 PolarHBondContact O-N 3.5Å
68Q82.7Confident77.8Confident106 Ų10668.2 Ų68.250%0.49536%0.355SS..Hα-helixtrans-66-42.7174.2-175.657.436.900111.2A64 Y65 L70 R71 T72A64-Q68 WeakPolarHBondContact O-CB 3.48Å; A64-Q68 PolarHBondContact O-N 2.77Å; Y65-Q68 PolarHBondContact O-N 3.46Å; Q68-L70 PolarHBondContact O-N 3.34Å; Q68-R71 PolarHBondContact O-N 3.25Å; Q68-T72 PolarHBondContact NE2-OG1 2.8Å; Q68-T72 WeakPolarHBondContact O-CB 3.24Å; Q68-T72 PolarHBondContact O-N 2.78Å; Q68-T72 PolarHBondContact O-OG1 3.05Å; Q68-T72 VanDerWaalsContact O-OG1 3.09Å
69L82.1Confident77.6Confident46 Ų4672 Ų7224%0.24139%0.387CS..Hα-helixtrans-60.9-45.3177-175.865.2000111.3L58 Y65 Q66 T72 K73L58-L69 HydrophobicContact CD2-CD2 4.43Å; Y65-L69 HydrophobicContact CE1-CD2 4.46Å; Y65-L69 VanDerWaalsContact O-CB 3.3Å; Y65-L69 WeakPolarHBondContact O-CB 3.28Å; Y65-L69 PolarHBondContact O-N 2.92Å; Q66-L69 PolarHBondContact O-N 3.08Å; L69-T72 PolarHBondContact O-N 3.08Å; L69-K73 HydrophobicContact CD1-CG 4.5Å; L69-K73 HydrophobicContact CG-CG 4.48Å; L69-K73 WeakPolarHBondContact O-CB 3.3Å; L69-K73 VanDerWaalsContact O-CG 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.49Å
70L81.4Confident77.4Confident27 Ų2776.3 Ų76.314%0.14141%0.411CS..Hα-helixtrans-52.3-55.5172.1-83.2173.5000110.8I31 L45 L58 L61 Q66 Q67 Q68 T72 K73 V74I31-L70 HydrophobicContact CD1-CD1 4.41Å; L45-L70 HydrophobicContact CB-CD2 4.26Å; L45-L70 HydrophobicContact CD1-CD2 3.54Å; L45-L70 HydrophobicContact CD2-CD2 3.67Å; L45-L70 HydrophobicContact CG-CD2 4.01Å; L58-L70 HydrophobicContact CD1-CD1 4.32Å; L58-L70 HydrophobicContact CD1-CD2 3.29Å; L58-L70 HydrophobicContact CD1-CG 3.93Å; L58-L70 HydrophobicContact CD2-CD2 4Å; L58-L70 HydrophobicContact CD2-CG 4.32Å; L58-L70 HydrophobicContact CG-CD2 4.25Å; L61-L70 HydrophobicContact CD2-CD1 3.79Å; Q66-L70 VanDerWaalsContact O-CB 3.3Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.39Å; Q66-L70 PolarHBondContact O-N 2.89Å; Q67-L70 WeakPolarHBondContact O-CB 3.41Å; Q68-L70 PolarHBondContact O-N 3.34Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.13Å; L70-K73 PolarHBondContact O-N 2.83Å; L70-K73 VanDerWaalsContact O-N 3.13Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.3Å; L70-V74 PolarHBondContact O-N 3.26Å
71R82.2Confident77.1Confident167 Ų16774.1 Ų74.163%0.6340%0.401SS*.Hα-helixtrans-56.6-44.5178.5-71172.5-176.6-156.91.2111.9Q67 Q68 V74 A75Q67-R71 VanDerWaalsContact O-CG 3.28Å; Q67-R71 WeakPolarHBondContact O-CG 3.44Å; Q67-R71 PolarHBondContact O-N 3.5Å; Q68-R71 PolarHBondContact O-N 3.25Å; R71-V74 PolarHBondContact O-N 3.09Å; R71-A75 VanDerWaalsContact O-CB 3.28Å; R71-A75 WeakPolarHBondContact O-CB 3.42Å; R71-A75 PolarHBondContact O-N 3.07Å
72T84.8Confident76.9Confident73 Ų7375.4 Ų75.445%0.44842%0.422SS..Hα-helixtrans-66.1-38.3178.2-61.50000112.2Q68 L69 L70 S76Q68-T72 PolarHBondContact NE2-OG1 2.8Å; Q68-T72 WeakPolarHBondContact O-CB 3.24Å; Q68-T72 PolarHBondContact O-N 2.78Å; Q68-T72 PolarHBondContact O-OG1 3.05Å; Q68-T72 VanDerWaalsContact O-OG1 3.09Å; L69-T72 PolarHBondContact O-N 3.08Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.13Å; T72-S76 VanDerWaalsContact O-CB 3.22Å; T72-S76 WeakPolarHBondContact O-CB 3.5Å; T72-S76 PolarHBondContact O-N 2.84Å
73K82.8Confident76.5Confident83 Ų8370.8 Ų70.836%0.36140%0.397SS..Hα-helixtrans-67.7-42.3176.6-71.3-60.6-174.1-178.10111.9L45 F56 L69 L70 S76 S77L45-K73 HydrophobicContact CD2-CB 4.44Å; F56-K73 HydrophobicContact CD1-CD 3.71Å; F56-K73 HydrophobicContact CD1-CG 4.17Å; F56-K73 HydrophobicContact CE1-CD 3.9Å; F56-K73 HydrophobicContact CG-CD 4.42Å; F56-K73 HydrophobicContact CG-CG 4.4Å; L69-K73 HydrophobicContact CD1-CG 4.5Å; L69-K73 HydrophobicContact CG-CG 4.48Å; L69-K73 WeakPolarHBondContact O-CB 3.3Å; L69-K73 VanDerWaalsContact O-CG 3.3Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.49Å; L70-K73 PolarHBondContact O-N 2.83Å; L70-K73 VanDerWaalsContact O-N 3.13Å; K73-S76 PolarHBondContact O-N 3.31Å; K73-S77 WeakPolarHBondContact O-CB 3.18Å; K73-S77 PolarHBondContact O-N 3.03Å
74V80.8Confident75.3Confident30 Ų3077.4 Ų77.418%0.18244%0.442CS..Hα-helixtrans-61.6-50.7174.1176.30000110.4I29 L45 M47 L70 R71 S76 S77 Q78I29-V74 HydrophobicContact CD1-CB 4.46Å; I29-V74 HydrophobicContact CD1-CG1 3.76Å; I29-V74 HydrophobicContact CD1-CG2 3.77Å; L45-V74 HydrophobicContact CD2-CG2 4.43Å; M47-V74 HydrophobicContact SD-CB 4.28Å; M47-V74 HydrophobicContact SD-CG2 3.76Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.3Å; L70-V74 PolarHBondContact O-N 3.26Å; R71-V74 PolarHBondContact O-N 3.09Å; V74-S76 PolarHBondContact O-N 3.46Å; V74-S77 CarbonylContact O-C 3.59Å; V74-S77 PolarHBondContact O-N 3.26Å; V74-S77 VanDerWaalsContact O-N 3.12Å; V74-Q78 WeakPolarHBondContact O-CG 3.28Å; V74-Q78 PolarHBondContact O-N 2.87Å
75A82Confident75.1Confident50 Ų5077.5 Ų77.541%0.41343%0.432SS..Hα-helixtrans-61.4-41.417900000112.5R71 S77 Q78 A79R71-A75 VanDerWaalsContact O-CB 3.28Å; R71-A75 WeakPolarHBondContact O-CB 3.42Å; R71-A75 PolarHBondContact O-N 3.07Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S77 PolarHBondContact O-N 3.14Å; A75-Q78 PolarHBondContact O-N 3.13Å; A75-A79 WeakPolarHBondContact O-CB 2.87Å; A75-A79 PolarHBondContact O-N 2.85Å
76S80.9Confident75Confident64 Ų6473.3 Ų73.345%0.44842%0.422SS..Hα-helixtrans-62.4-42.4174.5-176.60000111.2T72 K73 V74 Q78 A79 T80T72-S76 VanDerWaalsContact O-CB 3.22Å; T72-S76 WeakPolarHBondContact O-CB 3.5Å; T72-S76 PolarHBondContact O-N 2.84Å; K73-S76 PolarHBondContact O-N 3.31Å; V74-S76 PolarHBondContact O-N 3.46Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact O-N 3.21Å; S76-A79 PolarHBondContact O-N 2.99Å; S76-T80 WeakPolarHBondContact O-CB 3.01Å; S76-T80 PolarHBondContact O-N 3.03Å; S76-T80 PolarHBondContact O-OG1 3.34Å
77S74.3Confident75.2Confident7 Ų776.2 Ų76.25%0.04944%0.44CS..Hα-helixtrans-67.9-29.7176.2-176.60000112.5K73 V74 A75 F81K73-S77 WeakPolarHBondContact O-CB 3.18Å; K73-S77 PolarHBondContact O-N 3.03Å; V74-S77 CarbonylContact O-C 3.59Å; V74-S77 PolarHBondContact O-N 3.26Å; V74-S77 VanDerWaalsContact O-N 3.12Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S77 PolarHBondContact O-N 3.14Å; S77-F81 VanDerWaalsContact O-CD2 3.27Å; S77-F81 WeakPolarHBondContact O-CD2 3.48Å
78Q73.2Confident75.1Confident81 Ų8174.7 Ų74.738%0.37944%0.438SS..Hα-helixtrans-69.2-46.5172.6-72.5175.1-44.200110.6V74 A75 S76 F81 G82 I83V74-Q78 WeakPolarHBondContact O-CG 3.28Å; V74-Q78 PolarHBondContact O-N 2.87Å; A75-Q78 PolarHBondContact O-N 3.13Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact O-N 3.21Å; Q78-F81 PolarHBondContact O-N 3.47Å; Q78-G82 PolarHBondContact O-N 3.24Å; Q78-I83 HydrophobicContact CB-CB 4.02Å; Q78-I83 HydrophobicContact CG-CB 4.13Å; Q78-I83 HydrophobicContact CG-CD1 4.33Å; Q78-I83 HydrophobicContact CG-CG2 4.38Å; Q78-I83 PolarHBondContact O-N 3.39Å
79A77.1Confident74.6Confident82 Ų8272.8 Ų72.868%0.67844%0.435SS*.Hα-helixtrans-64.7-42.3179.900000113.4A75 S76 F81A75-A79 WeakPolarHBondContact O-CB 2.87Å; A75-A79 PolarHBondContact O-N 2.85Å; S76-A79 PolarHBondContact O-N 2.99Å; A79-F81 PolarHBondContact O-N 2.93Å
80T74.5Confident74.1Confident97 Ų9774.5 Ų74.560%0.59545%0.448SS*.Hα-helixtrans-63.3-27.4-178.9-60.90000112.7S76S76-T80 WeakPolarHBondContact O-CB 3.01Å; S76-T80 PolarHBondContact O-N 3.03Å; S76-T80 PolarHBondContact O-OG1 3.34Å
81F66.3Low73.6Confident79 Ų7977.9 Ų77.935%0.34647%0.469SS..THydrogen-bonded Turntrans-117.611.6-170.9-64.2-89.4000114.2F24 R49 S77 Q78 A79 I83F24-F81 HydrophobicContact CE1-CB 4.36Å; F24-F81 WeakPolarHBondContact CE2-O 3.45Å; F24-F81 HydrophobicContact CZ-CB 4.35Å; R49-F81 VanDerWaalsContact CZ-CG 3.46Å; S77-F81 VanDerWaalsContact O-CD2 3.27Å; S77-F81 WeakPolarHBondContact O-CD2 3.48Å; Q78-F81 PolarHBondContact O-N 3.47Å; A79-F81 PolarHBondContact O-N 2.93Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-I83 HydrophobicContact CB-CG1 4.32Å
82G63.6Low72.9Confident58 Ų5871.1 Ų71.160%0.59846%0.457SS*.THydrogen-bonded Turntrans68.333.1174.800000113.3Q78 C84Q78-G82 PolarHBondContact O-N 3.24Å; G82-C84 PolarHBondContact O-N 3.39Å
83I59.9Low71.9Confident25 Ų2570.9 Ų70.913%0.12846%0.458CS..  trans-83.198.7172.9-40.2-172.2000106.6F24 V27 Q78 F81F24-I83 HydrophobicContact CB-CB 4.16Å; F24-I83 HydrophobicContact CB-CD1 3.82Å; F24-I83 HydrophobicContact CB-CG1 3.56Å; F24-I83 HydrophobicContact CB-CG2 3.93Å; F24-I83 HydrophobicContact CD1-CD1 3.99Å; F24-I83 HydrophobicContact CD1-CG1 4.16Å; F24-I83 HydrophobicContact CD2-CG1 4.5Å; F24-I83 HydrophobicContact CG-CD1 4.12Å; F24-I83 HydrophobicContact CG-CG1 3.85Å; F24-I83 VanDerWaalsContact O-CG2 3.29Å; F24-I83 WeakPolarHBondContact O-CG2 3.46Å; V27-I83 HydrophobicContact CG2-CD1 3.61Å; Q78-I83 HydrophobicContact CB-CB 4.02Å; Q78-I83 HydrophobicContact CG-CB 4.13Å; Q78-I83 HydrophobicContact CG-CD1 4.33Å; Q78-I83 HydrophobicContact CG-CG2 4.38Å; Q78-I83 PolarHBondContact O-N 3.39Å; F81-I83 VanDerWaalsContact C-N 3.34Å; F81-I83 HydrophobicContact CB-CG1 4.32Å
84C47.5Very low70.9Confident195 Ų19569.8 Ų69.8100%1.31847%0.467SS*.  trans-88.90169.6-69.70000110.4G82G82-C84 PolarHBondContact O-N 3.39Å

Retrieved 84 of 84 residues in 190.9 ms (Link to these results)